N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide

C18H15F2N3O2 — CID 70838611

IUPACN-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
SMILESCCc1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H15F2N3O2/c1-2-16-21-15-10-13(20)6-7-14(15)18(25)23(16)22-17(24)9-11-4-3-5-12(19)8-11/h3-8,10H,2,9H2,1H3,(H,22,24)
InChIKeyFAKXOJKXYACOQM-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.55
Rot. Bonds4

About N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide

N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide (PubChem CID 70838611) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
PubChem CID70838611
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
SMILESCCc1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H15F2N3O2/c1-2-16-21-15-10-13(20)6-7-14(15)18(25)23(16)22-17(24)9-11-4-3-5-12(19)8-11/h3-8,10H,2,9H2,1H3,(H,22,24)
InChIKeyFAKXOJKXYACOQM-UHFFFAOYSA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide (CID 70838611) is N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide is CCc1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
The InChIKey is FAKXOJKXYACOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-2-16-21-15-10-13(20)6-7-14(15)18(25)23(16)22-17(24)9-11-4-3-5-12(19)8-11/h3-8,10H,2,9H2,1H3,(H,22,24).
What are the key properties of N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide has a molecular weight of 343.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 70838611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).